[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C23H22N2O4/c24-15-23(12-6-1-7-13-23)25-20(26)14-28-22(27)21-16-8-2-4-10-18(16)29-19-11-5-3-9-17(19)21/h2-5,8-11,21H,1,6-7,12-14H2,(H,25,26)